%chk=000290434.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000290434

0 1
O -4.073762 -1.231991 -0.988652
O -2.396217 -2.105480 0.240406
O 0.025507 2.944233 -0.550626
N -3.187716 0.763121 0.569912
N -1.818400 2.733237 0.790665
N -3.902789 2.600566 1.940265
C 0.013625 0.226928 -1.434693
C 1.066511 -0.429540 -0.569912
C 2.363299 0.174403 -0.401873
C -1.088801 0.824623 -0.617420
C 3.367727 -0.519871 0.325738
C -2.234606 0.173462 -0.284964
C 3.055864 -1.792557 0.925768
C 0.795684 -1.633420 0.038127
C -2.637302 -1.194952 -0.822286
C 1.789833 -2.315530 0.788912
C 2.670518 1.467196 -0.935733
C -0.871898 2.234235 -0.154881
C 4.663990 0.075298 0.453034
C 4.095845 -2.537499 1.701162
C 3.917788 2.017410 -0.788875
C 4.934859 1.304866 -0.092959
C -2.901446 2.042734 1.107253
C -4.542052 -0.827801 -2.289391
C -2.715755 -3.484342 -0.067245
H 0.475942 1.036290 -2.056443
H -0.374683 -0.509201 -2.168604
H -0.195014 -2.086649 -0.029769
H -2.116974 -1.484247 -1.757129
H 1.524754 -3.263783 1.251571
H 1.870457 2.029375 -1.435233
H 5.438821 -0.462031 0.996687
H -4.069893 0.267788 0.731317
H 3.723194 -3.491229 2.096341
H 4.970408 -2.768632 1.076668
H 4.445942 -1.949755 2.562236
H 4.142713 3.004603 -1.189028
H 5.920111 1.756166 0.004720
H -3.654240 3.517194 2.319554
H -4.286679 1.991266 2.653255
H -5.631073 -0.936864 -2.196757
H -4.152795 -1.494661 -3.064073
H -4.274181 0.215688 -2.484141
H -3.767141 -3.570625 -0.361013
H -2.533193 -3.980032 0.894788
H -2.044382 -3.863789 -0.841582


%chk=000290434-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000290434

0 1
O -4.188557 -1.218505 -1.140074
O -2.651536 -2.189486 0.337212
O -0.052041 2.923269 -0.402004
N -3.307019 0.708902 0.591345
N -1.978140 2.672920 0.906990
N -3.999356 2.428652 2.063579
C -0.022020 0.221046 -1.331710
C 1.109732 -0.376022 -0.474122
C 2.438811 0.194123 -0.427548
C -1.168816 0.786203 -0.515639
C 3.489710 -0.508351 0.295714
C -2.338276 0.114545 -0.233519
C 3.193187 -1.732359 1.004514
C 0.855775 -1.551185 0.243626
C -2.758965 -1.249805 -0.743595
C 1.880679 -2.215815 0.978214
C 2.764711 1.445079 -1.055618
C -1.014978 2.192531 -0.010535
C 4.815223 0.044322 0.298175
C 4.269977 -2.477135 1.773666
C 4.063409 1.956061 -1.025316
C 5.104297 1.243079 -0.355992
C -3.056863 1.943354 1.176759
C -4.404743 -0.580694 -2.449281
C -2.955353 -3.578631 -0.062550
H 0.364896 1.036996 -1.961574
H -0.383953 -0.570162 -2.015691
H -0.157720 -1.970630 0.256508
H -2.153147 -1.561430 -1.624112
H 1.633905 -3.132910 1.526906
H 1.966752 2.041387 -1.505145
H 5.611994 -0.484955 0.830868
H -4.199980 0.214647 0.679968
H 3.851954 -3.376451 2.256838
H 5.096178 -2.803336 1.112930
H 4.717977 -1.847009 2.565654
H 4.280607 2.919731 -1.499020
H 6.122304 1.648860 -0.341305
H -3.804020 3.342929 2.465317
H -4.742063 1.853638 2.452344
H -5.485889 -0.650850 -2.642340
H -3.849172 -1.112398 -3.247939
H -4.096773 0.483509 -2.438074
H -4.008888 -3.670368 -0.376431
H -2.764629 -4.187905 0.833122
H -2.286783 -3.903191 -0.886021


